phenethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-(2-benzyloxy-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(2-oxo-2-phenylmethoxyethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-(2-oxo-2-phenylmethoxyethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-benzoxy-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c1-17-21-23(33-22(17)25(30)31-13-12-18-8-4-2-5-9-18)26-16-27(24(21)29)14-20(28)32-15-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3